Showing 1–20 of 84 results
/ Date/ Name
Feb 25, 2010First-Principles Study of a Positron Immersed in an Electron GasAug 14, 2009Benchmark all-electron ab initio quantum Monte Carlo calculations for small moleculesSep 30, 2009Smooth relativistic Hartree-Fock pseudopotentials for H to Ba and Lu to HgSep 30, 2009Spectroscopic data for the LiH molecule from pseudopotential quantum Monte Carlo calculationsJan 13, 2010Fundamental high pressure calibration from all-electron quantum Monte Carlo calculationsJan 20, 2011Ab initio Random Structure SearchingNov 20, 2008Exciton-exciton interaction and biexciton formation in bilayer systemsApr 12, 2011Predicted formation of superconducting platinum-hydride crystals under pressure in the presence of molecular hydrogenJan 4, 2017First-principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamondAug 6, 2004Interpretation of Hund's multiplicity rule for the carbon atomApr 19, 2006High-pressure phases of silaneNov 20, 2006Graphite intercalation compounds under pressureJan 2, 2008Exciton and biexciton energies in bilayer systemsJan 2, 2008Diffusion quantum Monte Carlo study of three-dimensional Wigner crystalsJan 24, 2012Energetics of hydrogen/lithium complexes in silicon analyzed using the Maxwell constructionOct 20, 1998Finite size errors in quantum many-body simulations of extended systemsJun 5, 1998A Quantum Monte Carlo Approach to the Adiabatic Connection MethodJun 5, 2008Finite-size errors in continuum quantum Monte Carlo calculationsAug 9, 2015Pseudopotential for the electron-electron interactionOct 29, 2010Diamond -> beta-tin phase transition in Si within diffusion quantum Monte Carlo